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CHEBI:133205 - trans-3-hydroxycotinine β-D-glucuronide(1−)

ChEBI IDCHEBI:133205
ChEBI Nametrans-3-hydroxycotinine β-D-glucuronide(1−)
Stars
ASCII Nametrans-3-hydroxycotinine beta-D-glucuronide(1-)
DefinitionA carbohydrate acid derivative anion that is the conjugate base of trans-3-hydroxycotinine β-D-glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC16H19N2O8
Net Charge-1
Average Mass367.334
Monoisotopic Mass367.11469
SMILESCN1C(=O)[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1
InChIInChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/p-1/t8-,9+,10-,11-,12+,13-,16+/m0/s1
InChIKeyWALNNKZUGHYSCT-MGKNELHOSA-M
ChEBI Ontology
Outgoing Relation(s)
trans-3-hydroxycotinine β-D-glucuronide(1−) (CHEBI:133205) is a carbohydrate acid derivative anion (CHEBI:63551)
trans-3-hydroxycotinine β-D-glucuronide(1−) (CHEBI:133205) is conjugate base of trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206)
Incoming Relation(s)
trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) is conjugate acid of trans-3-hydroxycotinine β-D-glucuronide(1−) (CHEBI:133205)
IUPAC Name 
(3R,5S)-1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl β-D-glucopyranosiduronate
Synonyms  Source
3-hydroxycotinine glucuronide(1−)ChEBI
3-hydroxycotinine glucuronideChEBI